DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL452297_dpp4

Atoms: 279
Models: 9
Best Energy: -6.243 kcal/mol

Binding Energies:
  • Pose 1: -6.243 kcal/mol
  • Pose 2: -6.091 kcal/mol
  • Pose 3: -6.07 kcal/mol
  • Pose 4: -6.025 kcal/mol
  • Pose 5: -5.891 kcal/mol
  • Pose 6: -5.618 kcal/mol
  • Pose 7: -5.612 kcal/mol
  • Pose 8: -5.581 kcal/mol
  • Pose 9: -5.53 kcal/mol
CHEMBL452297_dpp4
Energy Plot
RMSD Scatter Plot